3-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzenesulfonamide

C19H13ClN2O3S — CID 155514321

IUPAC3-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cccc(Cl)c1
InChIInChI=1S/C19H13ClN2O3S/c20-14-7-4-8-16(11-14)26(23,24)22-15-9-10-18-17(12-15)21-19(25-18)13-5-2-1-3-6-13/h1-12,22H
InChIKeyRNHWDPLVEYNQLQ-UHFFFAOYSA-N
MW384.84 g/mol
LogP4.95
Rot. Bonds4

About 3-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzenesulfonamide

3-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzenesulfonamide (PubChem CID 155514321) has the molecular formula C19H13ClN2O3S and a molecular weight of 384.84 g/mol. Its IUPAC name is 3-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzenesulfonamide
PubChem CID155514321
Molecular FormulaC19H13ClN2O3S
Molecular Weight384.84 g/mol
Exact Mass384.03
IUPAC Name3-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cccc(Cl)c1
InChIInChI=1S/C19H13ClN2O3S/c20-14-7-4-8-16(11-14)26(23,24)22-15-9-10-18-17(12-15)21-19(25-18)13-5-2-1-3-6-13/h1-12,22H
InChIKeyRNHWDPLVEYNQLQ-UHFFFAOYSA-N
XLogP4.95
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzenesulfonamide (CID 155514321) is 3-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzenesulfonamide?
The InChIKey is RNHWDPLVEYNQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3S/c20-14-7-4-8-16(11-14)26(23,24)22-15-9-10-18-17(12-15)21-19(25-18)13-5-2-1-3-6-13/h1-12,22H.
What are the key properties of 3-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzenesulfonamide?
3-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzenesulfonamide has a molecular weight of 384.84 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 155514321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).